1.0 2010-04-08 22:06:25 UTC 2025-11-18 22:57:41 UTC FDB004846 Propyl angelate Propyl angelate, also known as propyl angelic acid, is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Propyl angelate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Propyl angelate can be found in roman camomile, which makes propyl angelate a potential biomarker for the consumption of this food product. 2-Butenoic acid, 2-methyl-, propyl ester, (Z)- N-propyl angelate Propyl 2-methylisocrotonate C8H14O2 142.1956 142.099379692 propyl (2Z)-2-methylbut-2-enoate propyl (2Z)-2-methylbut-2-enoate CCCOC(=O)C(\C)=C/C InChI=1S/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3/b7-5- RZWMDOQSXWAAMC-ALCCZGGFSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Enoate esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.69 ALOGPS logs -1.69 ALOGPS solubility 2.92e+00 g/l ALOGPS logp 2.57 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac propyl (2Z)-2-methylbut-2-enoate ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CCCOC(=O)C(\C)=C/C ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3/b7-5- ChemAxon inchikey RZWMDOQSXWAAMC-ALCCZGGFSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 41.36 ChemAxon polarizability 16.24 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72582 Specdb::MsMs 72583 Specdb::MsMs 72584 Specdb::MsMs 131553 Specdb::MsMs 131554 Specdb::MsMs 131555 Specdb::MsMs 3601055 Specdb::MsMs 3601056 Specdb::MsMs 3601057 Specdb::MsMs 3601058 Specdb::MsMs 3601059 Specdb::MsMs 3601060 Roman camomile Type 1 specific Chamaemelum nobile 99037